SCHEMBL7987790

SCHEMBL7987790

CCCS(=O)(=O)NC(=O)c1cccc(OCC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 3/20 0.54
NR1H4 Q96RI1 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 4/20 0.54
HPGD P15428 3/20 0.54
NPC1 O15118 3/20 0.54
SMPD1 P17405 3/20 0.53
POLB P06746 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7984969 0.90 KAT6A (0.61) KAT6ASMN1; SMN2KMT2ALMNANR1H4
SCHEMBL7973301 0.90 SMPD1 (0.64) KAT6AKMT2ANR1H4SMPD1MAPK1
SCHEMBL7973370 0.88 TAS1R3 (0.58) KAT6ASMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL7985860 0.85 KAT6A (0.61) KAT6ASMN1; SMN2KMT2ALMNANR1H4
SCHEMBL7984812 0.83 PLK1 (0.59) SMN1; SMN2KMT2ALMNARAB9AHPGD
SCHEMBL7984993 0.81 SMPD1 (0.67) KAT6AKMT2ANR1H4SMPD1MAPK1
SCHEMBL7987668 0.80 HDAC8 (0.58) KAT6ASMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL7989112 0.80 L3MBTL1 (0.59) SMN1; SMN2KMT2ALMNAHTTRAB9A
SCHEMBL10294790 0.80 KAT6A (0.77) KAT6ASMN1; SMN2KMT2ANR1H4RAB9A
SCHEMBL7983796 0.79 HDAC1 (0.57) KAT6ASMN1; SMN2KMT2ALMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331628-B1 REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-18 US disclosed